N-[2-(2,3-dihydro-1-benzofuran-3-ylmethylsulfanyl)phenyl]-N-ethylformamide

C18H19NO2S — CID 15881007

IUPACN-[2-(2,3-dihydro-1-benzofuran-3-ylmethylsulfanyl)phenyl]-N-ethylformamide
SMILESCCN(C=O)c1ccccc1SCC1COc2ccccc21
InChIInChI=1S/C18H19NO2S/c1-2-19(13-20)16-8-4-6-10-18(16)22-12-14-11-21-17-9-5-3-7-15(14)17/h3-10,13-14H,2,11-12H2,1H3
InChIKeySSDNPKRZFPCWJQ-UHFFFAOYSA-N
MW313.42 g/mol
LogP3.94
Rot. Bonds6

About N-[2-(2,3-dihydro-1-benzofuran-3-ylmethylsulfanyl)phenyl]-N-ethylformamide

N-[2-(2,3-dihydro-1-benzofuran-3-ylmethylsulfanyl)phenyl]-N-ethylformamide (PubChem CID 15881007) has the molecular formula C18H19NO2S and a molecular weight of 313.42 g/mol. Its IUPAC name is N-[2-(2,3-dihydro-1-benzofuran-3-ylmethylsulfanyl)phenyl]-N-ethylformamide.

Molecular Properties

Compound NameN-[2-(2,3-dihydro-1-benzofuran-3-ylmethylsulfanyl)phenyl]-N-ethylformamide
PubChem CID15881007
Molecular FormulaC18H19NO2S
Molecular Weight313.42 g/mol
Exact Mass313.11
IUPAC NameN-[2-(2,3-dihydro-1-benzofuran-3-ylmethylsulfanyl)phenyl]-N-ethylformamide
SMILESCCN(C=O)c1ccccc1SCC1COc2ccccc21
InChIInChI=1S/C18H19NO2S/c1-2-19(13-20)16-8-4-6-10-18(16)22-12-14-11-21-17-9-5-3-7-15(14)17/h3-10,13-14H,2,11-12H2,1H3
InChIKeySSDNPKRZFPCWJQ-UHFFFAOYSA-N
XLogP3.94
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.42
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

1-(2,3-dihydro-1-benzofuran-3-ylmethylsulfanyl)propan-2-amine
CID 79229949
N-(2,3-dihydro-1-benzofuran-3-ylmethyl)-N',N'-diethylethane-1,2-diamine
CID 79226973
1-[3-(2,3-dihydro-1-benzofuran-3-ylmethylsulfanyl)phenyl]ethanone
CID 79229444
2-(2,3-dihydro-1-benzofuran-3-ylmethyl)butan-1-ol
CID 79218532
2-(2,3-dihydro-1-benzofuran-3-ylmethylamino)-1-phenylethanol
CID 79226740
4-(2,3-dihydro-1-benzofuran-3-yl)-2-ethylbut-2-en-1-ol
CID 71329862
4-(2,3-dihydro-1-benzofuran-3-yl)-3-methylbutanoic acid
CID 81008483
methyl 3-(2,3-dihydro-1-benzofuran-3-ylmethylsulfanyl)butanoate
CID 79226651
1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-N-(2,3-dihydro-1-benzofuran-3-ylmethyl)methanamine
CID 79218793
N-(2,3-dihydro-1-benzofuran-3-ylmethyl)-3-phenylbutan-1-amine
CID 79218781
2-(2,3-dihydro-1-benzofuran-3-ylmethylsulfanyl)pyridin-3-amine
CID 79229787
1-(2,3-dihydro-1-benzofuran-3-ylmethylamino)pentan-3-ol
CID 113497582

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,3-dihydro-1-benzofuran-3-ylmethylsulfanyl)phenyl]-N-ethylformamide?
The IUPAC name of N-[2-(2,3-dihydro-1-benzofuran-3-ylmethylsulfanyl)phenyl]-N-ethylformamide (CID 15881007) is N-[2-(2,3-dihydro-1-benzofuran-3-ylmethylsulfanyl)phenyl]-N-ethylformamide.
What is the SMILES notation for N-[2-(2,3-dihydro-1-benzofuran-3-ylmethylsulfanyl)phenyl]-N-ethylformamide?
The canonical SMILES for N-[2-(2,3-dihydro-1-benzofuran-3-ylmethylsulfanyl)phenyl]-N-ethylformamide is CCN(C=O)c1ccccc1SCC1COc2ccccc21.
What is the InChIKey of N-[2-(2,3-dihydro-1-benzofuran-3-ylmethylsulfanyl)phenyl]-N-ethylformamide?
The InChIKey is SSDNPKRZFPCWJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO2S/c1-2-19(13-20)16-8-4-6-10-18(16)22-12-14-11-21-17-9-5-3-7-15(14)17/h3-10,13-14H,2,11-12H2,1H3.
What are the key properties of N-[2-(2,3-dihydro-1-benzofuran-3-ylmethylsulfanyl)phenyl]-N-ethylformamide?
N-[2-(2,3-dihydro-1-benzofuran-3-ylmethylsulfanyl)phenyl]-N-ethylformamide has a molecular weight of 313.42 g/mol, XLogP of 3.94, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,3-dihydro-1-benzofuran-3-ylmethylsulfanyl)phenyl]-N-ethylformamide is sourced from PubChem (CID 15881007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).